SCHEMBL3722471

SCHEMBL3722471

CC1CCCC(OCC(=O)O)(C(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9595457 0.81 CYP1A2 (0.34) CYP1A2
SCHEMBL80008 0.77 CYP1A2 (0.39) CYP1A2KDM4EALDH1A1TDP1
SCHEMBL26620596 0.77 CYP1A2 (0.39) CYP1A2KDM4EALDH1A1TDP1
SCHEMBL27814124 0.76 CYP1A2 (0.40) CYP1A2
SCHEMBL2357386 0.76 CYP1A2 (0.33) CYP1A2KDM4E
SCHEMBL583686 0.76 CYP1A2 (0.34) CYP1A2
SCHEMBL10964692 0.76 CYP1A2 (0.34) CYP1A2
SCHEMBL3409194 0.76 CYP1A2 (0.34) CYP1A2KDM4E
SCHEMBL110176 0.75 CYP1A2 (0.33) CYP1A2
SCHEMBL27873180 0.74 CYP1A2 (0.34) CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947231-B2 Processes for the preparation of substituted tetrahydro beta-carbolines PTC THERAPEUTICS, INC. (US) 2021-03-16 US disclosed
US-20190135810-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES PTC THERAPEUTICS INC (US) 2019-05-09 US disclosed
US-20120136154-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES PTC THERAPEUTICS, INC. 2012-05-31 US disclosed
WO-2010138644-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES PTC THERAPEUTICS, INC. (US) 2010-12-02 WO disclosed
US-5364878-A Antiasthmatics; urogenital disorders HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-15 US disclosed
EP-0351720-B1 Use of substituted 3,4-dihydro-2H-benzopyrans as medicaments against obstructive disorders of the lung HOECHST AG (DE) 1994-08-24 EP disclosed
EP-0560399-A1 Use of substituted 3,4-dihydro-2H-benzopyrans as medicament against disorders of the urethra HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-15 EP disclosed
EP-0277612-B1 SUBSTITUTED 3,4-DIHYDRO-2H-BENZOPYRANES, PROCESS FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS BASED ON THESE COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-28 EP disclosed
EP-0521936-A1 UNSATURATED N-BENZOXODIAZOPYRANYL LACTAMS, THEIR PRODUCTION AND USE BASF Aktiengesellschaft (DE) 1993-01-13 EP disclosed
WO-1991014690-A1 UNSATURATED N-BENZOXODIAZOPYRANYL LACTAMS, THEIR PRODUCTION AND USE BASF AKTIENGESELLSCHAFT (DE) 1991-10-03 WO disclosed
US-5043344-A Unsaturated N-benzopyranyllactams HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-27 US disclosed
EP-0355565-A1 6-Benzoyl-substituted 3,4-dihydro-2H-benzopyranes, method for their preparation and pharmaceutical preparations based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-28 EP disclosed
EP-0351720-A2 Use of substituted 3,4-dihydro-2H-benzopyrans as medicaments against obstructive disorders of the lung HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-24 EP disclosed
EP-0337179-A1 Unsaturated N-benzopyranyllactams HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-18 EP disclosed
EP-0277612-A2 Substituted 3,4-dihydro-2H-benzopyranes, process for their preparation, their use and pharmaceutical preparations based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10947231-B2 Processes for the preparation of substituted tetrahydro beta-carbolines TPH1, TPH2, HTR1B CYP1A2 28/4885KDM4E 1006/4885ALDH1A1 239/4885
US-20120136154-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES TPH1, TPH2, HTR1B CYP1A2 26/4885KDM4E 1033/4885ALDH1A1 231/4885
US-20190135810-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES TPH1, TPH2, HTR1B CYP1A2 28/4885KDM4E 1006/4885ALDH1A1 239/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.